Chemical Properties of 2-Oxetanone, 4-methylene- (CAS 674-82-8)

InChI

InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2

InChI Key

WASQWSOJHCZDFK-UHFFFAOYSA-N

Formula

C4H4O2

SMILES

C=C1CC(=O)O1

Molecular Weight¹

84.07

CAS

674-82-8

Other Names

• 3-Butenoic acid, 3-hydroxy-, «beta»-lactone
• 3-Butenoic acid, 3-hydroxy-, «beta»-lactone
• 4-METHYLENE-2-OXETANONE
• DIKETENE
• DIMER
• Diketen
• ETHENONE
• Ethenone, dimer
• KETENE DIMER
• Vinylaceto-«beta»-lactone
• Vinylaceto-«beta»-lactone
• but-3-en-3-olide

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-1912.50 ± 0.42	kJ/mol	NIST
ΔfG°	-116.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-190.20 ± 0.54	kJ/mol	NIST
ΔfH°liquid	-233.10 ± 0.46	kJ/mol	NIST
ΔfusH°	7.41	kJ/mol	Joback Calculated Property
ΔvapH°	[42.90; 42.90]	kJ/mol
ΔvapH°	42.90	kJ/mol	NIST
ΔvapH°	42.90 ± 0.10	kJ/mol	NIST
ΔvapH°	42.90	kJ/mol	NIST
ΔvapH°	42.90 ± 0.10	kJ/mol	NIST
IE	9.60 ± 0.02	eV	NIST
log10WS	-0.60		Crippen Calculated Property
logPoct/wat	0.447		Crippen Calculated Property
McVol	59.500	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	2		KDB
NFPA Safety	2		KDB
Pc	5335.72	kPa	Joback Calculated Property
Inp	709.20		NIST
Tboil	[399.20; 400.60]	K
Tboil	400.60	K	NIST
Tboil	399.20	K	NIST
Tboil	400.15	K	NIST
Tc	616.42	K	Joback Calculated Property
Tfus	266.15 ± 2.00	K	NIST
Vc	0.222	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[106.51; 144.43]	J/mol×K	[400.53; 616.42]
Cp,gas	106.51	J/mol×K	400.53	Joback Calculated Property
Cp,gas	113.46	J/mol×K	436.51	Joback Calculated Property
Cp,gas	120.16	J/mol×K	472.49	Joback Calculated Property
Cp,gas	126.61	J/mol×K	508.47	Joback Calculated Property
Cp,gas	132.81	J/mol×K	544.46	Joback Calculated Property
Cp,gas	138.75	J/mol×K	580.44	Joback Calculated Property
Cp,gas	144.43	J/mol×K	616.42	Joback Calculated Property
ΔvapH	[36.80; 42.90]	kJ/mol	[342.50; 399.20]
ΔvapH	42.90	kJ/mol	342.50	NIST
ΔvapH	36.80	kJ/mol	399.20	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.19; 202.67]	kPa	[266.65; 425.65]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53129e+01
Coefficient B			-3.86501e+03
Coefficient C			-3.92000e+01
Temperature range, min.			266.65
Temperature range, max.			425.65
Pvap	0.19	kPa	266.65	Calculated Property
Pvap	0.63	kPa	284.32	Calculated Property
Pvap	1.83	kPa	301.98	Calculated Property
Pvap	4.62	kPa	319.65	Calculated Property
Pvap	10.47	kPa	337.32	Calculated Property
Pvap	21.62	kPa	354.98	Calculated Property
Pvap	41.34	kPa	372.65	Calculated Property
Pvap	74.08	kPa	390.32	Calculated Property
Pvap	125.52	kPa	407.98	Calculated Property
Pvap	202.67	kPa	425.65	Calculated Property
Pvap	[0.18; 5961.07]	kPa	[266.65; 616.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.76192e+01
Coefficient B			-6.01856e+03
Coefficient C			-3.00236e+00
Coefficient D			3.40369e-07
Temperature range, min.			266.65
Temperature range, max.			616.00
Pvap	0.18	kPa	266.65	Calculated Property
Pvap	2.16	kPa	305.47	Calculated Property
Pvap	14.01	kPa	344.28	Calculated Property
Pvap	60.34	kPa	383.10	Calculated Property
Pvap	193.68	kPa	421.92	Calculated Property
Pvap	500.43	kPa	460.73	Calculated Property
Pvap	1096.99	kPa	499.55	Calculated Property
Pvap	2117.59	kPa	538.37	Calculated Property
Pvap	3698.11	kPa	577.18	Calculated Property
Pvap	5961.07	kPa	616.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Oxetanone, 4-methylene-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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